(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine

C46H75NS — CID 44537953

IUPAC(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.C[C@H]1CCCC[C@@]1(c1cccs1)N1CCCCC1
InChIInChI=1S/C30H50.C16H25NS/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4;1-14-8-3-4-10-16(14,15-9-7-13-18-15)17-11-5-2-6-12-17/h15-18,23-24H,9-14,19-22H2,1-8H3;7,9,13-14H,2-6,8,10-12H2,1H3/b27-17+,28-18+,29-23+,30-24+;/t;14-,16+/m.0/s1
InChIKeyQEIWZWBZRYSZLB-VJCSBYGWSA-N
MW674.18 g/mol
LogP15.24
Rot. Bonds17

About (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine

(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine (PubChem CID 44537953) has the molecular formula C46H75NS and a molecular weight of 674.18 g/mol. Its IUPAC name is (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine.

Molecular Properties

Compound Name(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
PubChem CID44537953
Molecular FormulaC46H75NS
Molecular Weight674.18 g/mol
Exact Mass673.56
IUPAC Name(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.C[C@H]1CCCC[C@@]1(c1cccs1)N1CCCCC1
InChIInChI=1S/C30H50.C16H25NS/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4;1-14-8-3-4-10-16(14,15-9-7-13-18-15)17-11-5-2-6-12-17/h15-18,23-24H,9-14,19-22H2,1-8H3;7,9,13-14H,2-6,8,10-12H2,1H3/b27-17+,28-18+,29-23+,30-24+;/t;14-,16+/m.0/s1
InChIKeyQEIWZWBZRYSZLB-VJCSBYGWSA-N
XLogP15.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.18
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine with MolForge

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Related Compounds

[(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol
CID 15103557
(3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 10731255
(2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl)methanol
CID 164513072
(3R)-3-methyl-1-[(1S,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 10660186
3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine
CID 10707699
1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 67624546
2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene
CID 123540837
1-[4-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienyl)-2,3-dihydrofuran-3-yl]pyrrolidine
CID 91317525
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
tricyclohexyl(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphanium bromide
CID 160956477

Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine?
The IUPAC name of (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine (CID 44537953) is (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine.
What is the SMILES notation for (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine?
The canonical SMILES for (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.C[C@H]1CCCC[C@@]1(c1cccs1)N1CCCCC1.
What is the InChIKey of (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine?
The InChIKey is QEIWZWBZRYSZLB-VJCSBYGWSA-N. The full InChI is InChI=1S/C30H50.C16H25NS/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4;1-14-8-3-4-10-16(14,15-9-7-13-18-15)17-11-5-2-6-12-17/h15-18,23-24H,9-14,19-22H2,1-8H3;7,9,13-14H,2-6,8,10-12H2,1H3/b27-17+,28-18+,29-23+,30-24+;/t;14-,16+/m.0/s1.
What are the key properties of (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine?
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine has a molecular weight of 674.18 g/mol, XLogP of 15.24, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine is sourced from PubChem (CID 44537953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).